{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.320503 0.580346 0.115123 ] [ 0.867002 0.745938 0.346441 ] [ 0.679497 0.080346 0.384877 ] [ 0.132998 0.254062 0.653559 ] [ 0.132998 0.245938 0.153559 ] [ 0.679497 0.419654 0.884877 ] [ 0.320503 0.919654 0.615123 ] [ 0.867002 0.754062 0.846441 ] [ 0.461486 0.674326 0.516048 ] [ 0.461486 0.825674 0.016048 ] [ 0.538514 0.174326 0.983952 ] [ 0.538514 0.325674 0.483952 ] [ 0.9032 0.02106 0.752753 ] [ 0.9032 0.47894 0.252753 ] [ 0.0968 0.97894 0.247247 ] [ 0.0968 0.52106 0.747247 ] [ 0.004592 0.908331 0.754427 ] [ 0.688118 0.759108 0.080575 ] [ 0.082236 0.423288 0.162088 ] [ 0.311882 0.240892 0.919425 ] [ 0.688118 0.740892 0.580575 ] [ 0.491873 0.34326 0.651686 ] [ 0.663608 0.021825 0.634142 ] [ 0.750631 0.254345 0.995998 ] [ 0.508127 0.65674 0.348314 ] [ 0.995408 0.091669 0.245573 ] [ 0.336392 0.978175 0.365858 ] [ 0.750631 0.245655 0.495998 ] [ 0.004592 0.591669 0.254427 ] [ 0.508127 0.84326 0.848314 ] [ 0.491873 0.15674 0.151686 ] [ 0.249369 0.754345 0.504002 ] [ 0.311882 0.259108 0.419425 ] [ 0.917764 0.923288 0.337912 ] [ 0.082236 0.076712 0.662088 ] [ 0.995408 0.408331 0.745573 ] [ 0.663608 0.478175 0.134142 ] [ 0.249369 0.745655 0.004002 ] [ 0.336392 0.521825 0.865858 ] [ 0.917764 0.576712 0.837912 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.6537687513 "source-unit" "angstrom" } "b" { "source-value" 12.82371036 "source-unit" "angstrom" } "c" { "source-value" 8.75328908488 "source-unit" "angstrom" } "beta" { "source-value" 100.219863051 "source-unit" "degree" } }